#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uww s PRO 7 N 0.00 1.33 0.44 6.28 0.04 -1.26 -4.96 135.00 136.87 1uww s PRO 7 Ca 0.00 1.30 -0.25 0.00 0.04 0.00 0.00 61.00 62.09 1uww s PRO 7 Cb 0.00 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1uww s PRO 7 CO 0.00 -2.33 1.41 0.14 0.04 0.00 0.00 177.00 176.26 1uww s VAL 8 N -2.75 2.16 -0.14 -0.36 -7.23 -1.26 -5.00 120.40 105.81 1uww s VAL 8 Ca 0.65 0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.98 1uww s VAL 8 Cb -0.21 -3.08 0.01 0.00 0.56 0.00 0.00 36.38 33.66 1uww s VAL 8 CO 0.58 0.02 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.48 1uww s VAL 9 N -1.21 2.07 0.55 1.32 1.01 -1.26 -5.04 120.40 117.84 1uww s VAL 9 Ca 0.60 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1uww s VAL 9 Cb -0.43 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1uww s VAL 9 CO 0.55 0.55 0.85 -1.00 0.00 0.00 0.00 175.10 176.06 1uww s HIS 10 N 0.87 3.36 1.00 5.22 3.76 -1.26 -4.69 115.29 123.56 1uww s HIS 10 Ca -0.06 0.70 -0.11 0.00 -0.15 0.00 0.00 55.06 55.44 1uww s HIS 10 Cb -0.15 -2.57 0.18 0.00 1.11 0.00 0.00 32.58 31.14 1uww s HIS 10 CO -0.03 -0.62 0.99 -0.25 -0.85 0.00 0.00 174.74 173.98 1uww n ASP 11 N -2.46 -0.60 -4.65 1.40 8.00 -0.50 -4.91 116.55 112.84 1uww n ASP 11 Ca 0.03 0.23 -0.40 0.00 0.71 0.00 0.00 54.79 55.36 1uww n ASP 11 Cb 0.57 -1.37 0.03 0.00 -0.02 0.00 0.00 41.12 40.33 1uww n ASP 11 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1uww n PRO 12 N -4.11 1.35 0.01 -0.24 -0.02 -1.26 -4.76 135.00 125.97 1uww n PRO 12 Ca 0.08 0.50 -0.18 0.00 -2.02 0.00 0.00 63.50 61.88 1uww n PRO 12 Cb 0.53 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.68 1uww n PRO 12 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1uww h LYS 13 N 1.27 0.52 0.00 -0.52 3.64 -1.91 -0.45 116.57 119.12 1uww h LYS 13 Ca -0.47 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.36 1uww h LYS 13 Cb 1.33 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1uww h LYS 13 CO 0.55 1.17 0.00 0.41 -2.27 0.00 0.00 179.45 179.32 1uww n GLY 14 N 1.02 -1.21 3.70 5.01 0.00 -1.26 -0.82 105.19 111.64 1uww n GLY 14 Ca -0.10 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 1uww n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uww s GLU 15 N 0.00 3.42 -0.05 1.61 2.02 -1.26 -3.91 118.70 120.53 1uww s GLU 15 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 1uww s GLU 15 Cb 0.00 -3.01 -0.07 0.00 0.10 0.00 0.00 34.13 31.15 1uww s GLU 15 CO 0.00 0.57 1.90 0.00 0.02 0.00 0.00 175.26 177.75 1uww s ALA 16 N -0.47 3.43 -0.01 5.21 0.00 -1.25 -3.57 121.76 125.10 1uww s ALA 16 Ca 0.10 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 1uww s ALA 16 Cb -0.12 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1uww s ALA 16 CO 0.02 -1.75 0.04 0.08 0.00 0.00 0.00 175.76 174.15 1uww s VAL 17 N 5.01 0.01 -0.04 0.00 1.01 -1.20 -4.95 120.40 120.23 1uww s VAL 17 Ca 0.85 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1uww s VAL 17 Cb -0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1uww s VAL 17 CO 0.37 -0.03 -0.23 -0.76 0.00 0.00 0.00 175.10 174.45 1uww s LEU 18 N -0.07 2.23 0.47 3.92 1.43 -1.26 -3.39 118.68 122.01 1uww s LEU 18 Ca -0.01 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.43 1uww s LEU 18 Cb -0.01 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 44.73 1uww s LEU 18 CO 0.00 0.30 1.31 -2.84 0.23 0.00 0.00 176.35 175.35 1uww s PRO 19 N -0.46 3.60 -0.35 1.29 0.02 -1.26 -5.07 135.00 132.76 1uww s PRO 19 Ca 0.05 2.14 -0.19 0.00 0.02 0.00 0.00 61.00 63.02 1uww s PRO 19 Cb -0.11 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1uww s PRO 19 CO 0.01 -0.79 0.58 -1.12 -0.33 0.00 0.00 177.00 175.35 1uww s SER 20 N -0.91 6.38 -0.00 2.53 0.01 0.17 -4.89 113.70 116.99 1uww s SER 20 Ca 0.64 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.96 1uww s SER 20 Cb -0.38 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1uww s SER 20 CO 0.47 -0.55 0.02 1.33 0.41 0.00 0.00 173.24 174.92 1uww n VAL 21 N 5.52 0.00 -2.88 3.43 0.24 -1.26 -1.55 118.33 121.82 1uww n VAL 21 Ca -0.03 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.34 61.82 1uww n VAL 21 Cb 0.49 0.75 0.03 0.00 -1.47 0.00 0.00 33.84 33.64 1uww n VAL 21 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1uww n PHE 22 N -1.26 -1.65 0.97 6.34 3.72 -1.26 -4.69 117.46 119.63 1uww n PHE 22 Ca 0.00 0.43 0.12 0.00 -0.05 0.00 0.00 57.45 57.94 1uww n PHE 22 Cb 0.01 -4.01 0.09 0.00 -0.94 0.00 0.00 39.48 34.64 1uww n PHE 22 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1uww n GLU 23 N -3.53 2.17 -0.45 -1.08 -0.58 -1.26 -4.38 120.64 111.53 1uww n GLU 23 Ca -0.10 -1.83 0.08 0.00 -0.42 0.00 0.00 57.16 54.88 1uww n GLU 23 Cb 0.61 -1.45 0.26 0.00 -0.57 0.00 0.00 31.44 30.29 1uww n GLU 23 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1uww n ASP 24 N 1.22 3.97 0.00 1.62 5.68 -1.26 -4.95 116.55 122.83 1uww n ASP 24 Ca 0.13 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.78 1uww n ASP 24 Cb 0.57 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1uww n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uww n GLY 25 N 0.16 0.59 3.49 6.12 0.00 -1.26 -5.02 105.19 109.27 1uww n GLY 25 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1uww n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uww s THR 26 N -2.44 1.50 -2.01 2.61 -4.23 -1.26 -4.40 115.64 105.41 1uww s THR 26 Ca 0.00 -2.02 0.22 0.00 -1.18 0.00 0.00 61.69 58.70 1uww s THR 26 Cb 0.00 -2.80 0.61 0.00 1.34 0.00 0.00 72.50 71.65 1uww s THR 26 CO 0.00 -0.05 1.82 0.54 -0.54 0.00 0.00 174.62 176.39 1uww n ARG 27 N -0.75 1.03 -4.24 3.99 1.74 -0.18 -4.62 116.66 113.63 1uww n ARG 27 Ca -0.04 -0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.67 1uww n ARG 27 Cb 0.66 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 30.71 1uww n ARG 27 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1uww n GLN 28 N -0.80 -2.23 -0.38 5.56 6.02 -0.52 -1.14 117.38 123.89 1uww n GLN 28 Ca 0.16 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1uww n GLN 28 Cb 0.08 -4.52 0.00 0.00 1.02 0.00 0.00 30.24 26.82 1uww n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uww n GLY 29 N -1.77 1.09 3.79 1.08 0.00 0.00 -3.25 105.19 106.12 1uww n GLY 29 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1uww n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uww s TRP 30 N -2.94 3.75 0.30 1.61 0.52 -0.29 -4.39 118.94 117.50 1uww s TRP 30 Ca 0.00 1.62 -0.14 0.00 0.02 0.00 0.00 56.10 57.60 1uww s TRP 30 Cb 0.00 -2.78 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 1uww s TRP 30 CO 0.00 0.35 0.60 0.34 0.02 0.00 0.00 176.95 178.26 1uww s ASP 31 N -1.48 0.05 0.21 2.95 -1.08 -0.60 -4.85 116.67 111.87 1uww s ASP 31 Ca 0.43 -0.99 -0.30 0.00 -0.52 0.00 0.00 52.55 51.18 1uww s ASP 31 Cb -0.20 0.69 -0.08 0.00 -1.46 0.00 0.00 42.92 41.87 1uww s ASP 31 CO 0.24 -1.34 1.02 0.26 0.52 0.00 0.00 175.17 175.87 1uww s TRP 32 N -3.47 3.77 0.56 -5.34 0.23 -1.26 -0.54 118.94 112.88 1uww s TRP 32 Ca 0.19 1.77 -0.21 0.00 -2.03 0.00 0.00 56.10 55.83 1uww s TRP 32 Cb -0.03 -3.14 -0.04 0.00 0.03 0.00 0.00 33.47 30.29 1uww s TRP 32 CO 0.11 -0.08 1.29 0.00 0.96 0.00 0.00 176.95 179.23 1uww s ALA 33 N -0.76 2.72 0.52 0.98 0.00 -0.26 -4.73 121.76 120.23 1uww s ALA 33 Ca 0.45 1.20 0.25 0.00 0.00 0.00 0.00 51.96 53.87 1uww s ALA 33 Cb -0.28 -3.52 1.39 0.00 0.00 0.00 0.00 23.12 20.71 1uww s ALA 33 CO 0.35 -1.28 1.98 0.78 0.00 0.00 0.00 175.76 177.59 1uww h GLY 34 N 1.29 0.05 -2.63 0.00 0.00 -1.96 -1.52 103.07 98.29 1uww h GLY 34 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1uww h GLY 34 CO 0.57 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.27 1uww n GLU 35 N -4.37 3.01 -1.94 4.80 0.00 -1.26 -4.96 120.64 115.92 1uww n GLU 35 Ca 0.11 -2.47 -0.41 0.00 0.00 0.00 0.00 57.16 54.39 1uww n GLU 35 Cb 0.65 -1.68 -0.02 0.00 0.00 0.00 0.00 31.44 30.39 1uww n GLU 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1uww s SER 36 N -0.92 6.55 0.14 -1.84 0.15 -0.58 -4.90 113.70 112.32 1uww s SER 36 Ca 0.45 2.82 0.26 0.00 0.70 0.00 0.00 55.95 60.17 1uww s SER 36 Cb 0.26 -2.64 0.94 0.00 -1.71 0.00 0.00 66.02 62.87 1uww s SER 36 CO 0.26 -0.74 1.78 0.61 1.20 0.00 0.00 173.24 176.35 1uww n GLY 37 N 1.44 -1.52 3.10 9.45 0.00 -0.82 -4.68 105.19 112.15 1uww n GLY 37 Ca 0.04 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1uww n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uww s VAL 38 N -3.10 1.57 -0.22 1.61 1.01 -1.26 -4.77 120.40 115.25 1uww s VAL 38 Ca 0.10 -0.71 0.19 0.00 0.00 0.00 0.00 61.98 61.56 1uww s VAL 38 Cb 0.13 -1.41 0.48 0.00 0.00 0.00 0.00 36.38 35.58 1uww s VAL 38 CO 0.52 0.45 1.15 0.29 0.00 0.00 0.00 175.10 177.51 1uww n LYS 39 N 3.91 1.91 -1.42 2.72 5.02 -1.26 -4.64 118.16 124.39 1uww n LYS 39 Ca -0.20 -3.42 -0.29 0.00 -2.02 0.00 0.00 58.31 52.38 1uww n LYS 39 Cb 0.52 -1.52 0.16 0.00 -0.02 0.00 0.00 35.03 34.17 1uww n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1uww s THR 40 N -3.36 1.97 0.16 -0.18 -4.23 -1.26 -4.90 115.64 103.84 1uww s THR 40 Ca 0.35 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.54 1uww s THR 40 Cb 0.36 -2.67 -0.11 0.00 1.34 0.00 0.00 72.50 71.41 1uww s THR 40 CO -0.04 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.81 1uww s ALA 41 N -3.21 3.84 -0.34 3.99 0.00 -1.26 -4.96 121.76 119.83 1uww s ALA 41 Ca 0.65 1.51 -0.15 0.00 0.00 0.00 0.00 51.96 53.96 1uww s ALA 41 Cb -0.15 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.23 1uww s ALA 41 CO 0.55 -1.08 0.38 -0.51 0.00 0.00 0.00 175.76 175.10 1uww s LEU 42 N 1.99 4.38 0.23 0.00 1.43 -1.26 -4.43 118.68 121.03 1uww s LEU 42 Ca 0.78 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1uww s LEU 42 Cb -0.48 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1uww s LEU 42 CO 0.34 -0.34 0.03 0.42 0.23 0.00 0.00 176.35 177.03 1uww s THR 43 N 2.07 0.86 -0.29 5.49 -4.23 -0.57 -1.40 115.64 117.57 1uww s THR 43 Ca 0.13 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.50 1uww s THR 43 Cb -0.16 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1uww s THR 43 CO 0.12 -0.25 0.28 -0.63 -0.54 0.00 0.00 174.62 173.59 1uww s ILE 44 N -3.54 5.24 0.10 2.99 -1.09 -1.26 -0.78 121.20 122.86 1uww s ILE 44 Ca 0.30 0.27 0.04 0.00 -2.23 0.00 0.00 60.65 59.03 1uww s ILE 44 Cb 0.06 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1uww s ILE 44 CO 0.09 0.15 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.24 1uww s GLU 45 N 1.90 0.85 0.10 2.79 0.41 -0.05 -4.88 118.70 119.82 1uww s GLU 45 Ca 0.10 -1.14 -0.30 0.00 -0.41 0.00 0.00 54.97 53.22 1uww s GLU 45 Cb -0.16 -0.56 -0.06 0.00 -1.78 0.00 0.00 34.13 31.56 1uww s GLU 45 CO 0.11 0.09 1.20 -2.00 -0.49 0.00 0.00 175.26 174.17 1uww s GLU 46 N -2.70 4.45 -0.04 1.61 2.12 -1.26 -0.31 118.70 122.57 1uww s GLU 46 Ca 0.05 1.81 -0.02 0.00 0.36 0.00 0.00 54.97 57.17 1uww s GLU 46 Cb -0.04 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 31.08 1uww s GLU 46 CO 0.00 -0.20 0.07 0.00 -0.54 0.00 0.00 175.26 174.59 1uww s ALA 47 N 0.70 0.11 -1.52 6.30 0.00 0.32 -4.91 121.76 122.76 1uww s ALA 47 Ca 0.57 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1uww s ALA 47 Cb -0.31 -0.51 0.08 0.00 0.00 0.00 0.00 23.12 22.38 1uww s ALA 47 CO 0.31 -0.35 0.91 -1.71 0.00 0.00 0.00 175.76 174.92 1uww n ASN 48 N 4.87 -4.01 -0.03 0.00 4.05 -1.26 -2.21 115.26 116.67 1uww n ASN 48 Ca -0.13 -0.82 -0.00 0.00 0.45 0.00 0.00 54.58 54.08 1uww n ASN 48 Cb 0.50 -3.76 -0.00 0.00 1.23 0.00 0.00 39.78 37.75 1uww n ASN 48 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1uww n GLY 49 N -1.66 0.47 3.11 8.20 0.00 -1.26 -5.02 105.19 109.02 1uww n GLY 49 Ca -0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1uww n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uww s SER 50 N -2.48 0.11 0.24 1.61 0.15 -0.94 -5.14 113.70 107.24 1uww s SER 50 Ca 0.00 -0.39 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 1uww s SER 50 Cb 0.00 0.21 -0.09 0.00 -1.71 0.00 0.00 66.02 64.43 1uww s SER 50 CO 0.00 -0.44 1.13 0.20 1.20 0.00 0.00 173.24 175.33 1uww s ASN 51 N -1.77 7.20 0.03 5.45 0.01 -1.26 -0.52 114.94 124.08 1uww s ASN 51 Ca -0.10 2.24 -0.02 0.00 -0.71 0.00 0.00 52.86 54.28 1uww s ASN 51 Cb -0.04 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.97 1uww s ASN 51 CO -0.02 -0.23 -0.00 0.00 -1.51 0.00 0.00 177.10 175.34 1uww s ALA 52 N -0.68 0.20 0.14 0.60 0.00 0.57 -4.57 121.76 118.02 1uww s ALA 52 Ca 0.48 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1uww s ALA 52 Cb -0.32 0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 1uww s ALA 52 CO 0.39 -0.26 1.27 -1.17 0.00 0.00 0.00 175.76 176.00 1uww s LEU 53 N -2.05 4.40 -0.01 0.00 2.96 -0.41 -0.87 118.68 122.69 1uww s LEU 53 Ca -0.06 2.24 -0.09 0.00 -0.22 0.00 0.00 54.13 55.99 1uww s LEU 53 Cb -0.02 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.08 1uww s LEU 53 CO -0.05 -0.51 0.20 -0.55 -1.32 0.00 0.00 176.35 174.13 1uww s SER 54 N 0.67 -0.07 0.20 3.68 0.15 0.04 -0.21 113.70 118.16 1uww s SER 54 Ca 0.58 -0.03 -0.15 0.00 0.70 0.00 0.00 55.95 57.05 1uww s SER 54 Cb -0.34 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 1uww s SER 54 CO 0.33 -0.35 0.48 -1.66 1.20 0.00 0.00 173.24 173.25 1uww s TRP 55 N -1.14 0.04 0.11 3.44 -2.14 -1.04 -1.51 118.94 116.70 1uww s TRP 55 Ca -0.12 -0.40 0.10 0.00 2.66 0.00 0.00 56.10 58.35 1uww s TRP 55 Cb -0.06 0.29 -0.04 0.00 -3.10 0.00 0.00 33.47 30.56 1uww s TRP 55 CO 0.02 -0.90 -0.26 -1.21 -2.66 0.00 0.00 176.95 171.94 1uww s GLU 56 N -3.91 1.52 0.05 3.25 2.02 -1.26 -1.37 118.70 119.00 1uww s GLU 56 Ca 0.12 -1.28 -0.28 0.00 0.02 0.00 0.00 54.97 53.55 1uww s GLU 56 Cb -0.00 -1.94 0.09 0.00 0.10 0.00 0.00 34.13 32.38 1uww s GLU 56 CO -0.00 0.47 1.07 -0.59 0.02 0.00 0.00 175.26 176.22 1uww s PHE 57 N -1.01 -0.14 0.00 1.61 -0.71 -0.72 -4.82 117.98 112.19 1uww s PHE 57 Ca 0.14 -0.06 -0.06 0.00 -1.04 0.00 0.00 56.93 55.91 1uww s PHE 57 Cb -0.10 0.58 -0.00 0.00 -1.21 0.00 0.00 43.02 42.29 1uww s PHE 57 CO 0.05 -0.56 0.10 0.20 -1.34 0.00 0.00 175.22 173.67 1uww s GLY 58 N -2.81 0.07 -0.07 1.99 0.00 -1.26 -1.38 107.32 103.86 1uww s GLY 58 Ca 0.11 -0.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.42 1uww s GLY 58 CO -0.02 -0.29 0.74 -0.19 0.00 0.00 0.00 173.10 173.34 1uww s TYR 59 N -1.25 3.57 0.30 1.90 2.02 -0.63 -4.99 117.35 118.28 1uww s TYR 59 Ca -0.13 1.29 -0.05 0.00 -0.37 0.00 0.00 57.07 57.80 1uww s TYR 59 Cb -0.07 -2.85 0.07 0.00 -0.40 0.00 0.00 41.96 38.71 1uww s TYR 59 CO 0.01 0.05 0.30 -0.35 -1.57 0.00 0.00 175.55 173.99 1uww n PRO 60 N 3.91 -1.24 0.09 -1.71 -0.05 -1.26 -4.76 135.00 129.97 1uww n PRO 60 Ca -0.00 -0.48 0.00 0.00 -0.05 0.00 0.00 63.50 62.97 1uww n PRO 60 Cb 0.51 -0.41 0.00 0.00 -0.05 0.00 0.00 33.50 33.55 1uww n PRO 60 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 1uww n GLU 61 N -2.21 0.00 0.00 0.54 0.28 -1.26 -4.97 120.64 113.02 1uww n GLU 61 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1uww n GLU 61 Cb 0.15 -0.06 0.00 0.00 1.43 0.00 0.00 31.44 32.96 1uww n GLU 61 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1uww n TRP 68 N -3.15 0.00 -0.01 -1.84 7.02 -1.26 -5.16 117.44 113.04 1uww n TRP 68 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.51 1uww n TRP 68 Cb 0.00 -0.06 0.40 0.00 -2.42 0.00 0.00 31.31 29.23 1uww n TRP 68 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1uww h ALA 69 N 1.16 1.65 -0.49 6.99 0.00 -1.99 -2.35 119.26 124.23 1uww h ALA 69 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1uww h ALA 69 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1uww h ALA 69 CO 0.00 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.80 1uww n THR 70 N -4.44 0.64 -2.98 0.00 -2.24 -1.26 -4.07 114.28 99.92 1uww n THR 70 Ca 0.03 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 1uww n THR 70 Cb 0.08 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 1uww n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uww s ALA 71 N -1.36 3.55 0.29 6.98 0.00 -0.89 -4.62 121.76 125.72 1uww s ALA 71 Ca 0.41 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1uww s ALA 71 Cb 0.22 -3.14 -0.13 0.00 0.00 0.00 0.00 23.12 20.07 1uww s ALA 71 CO 0.31 -0.67 1.25 -2.30 0.00 0.00 0.00 175.76 174.34 1uww n PRO 72 N 5.33 1.85 -3.73 0.00 -0.02 -1.24 -1.94 135.00 135.26 1uww n PRO 72 Ca 0.02 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.87 1uww n PRO 72 Cb 0.49 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 1uww n PRO 72 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1uww s ARG 73 N -1.29 0.69 0.52 -0.52 0.52 -1.26 -1.24 118.95 116.36 1uww s ARG 73 Ca 0.61 -0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 54.92 1uww s ARG 73 Cb -0.64 -1.99 -0.08 0.00 0.52 0.00 0.00 34.95 32.76 1uww s ARG 73 CO 0.58 -0.82 0.99 -0.51 0.02 0.00 0.00 175.30 175.55 1uww s LEU 74 N 1.76 3.60 -0.04 2.53 1.43 -0.20 -1.10 118.68 126.65 1uww s LEU 74 Ca 0.04 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.67 1uww s LEU 74 Cb -0.17 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.55 1uww s LEU 74 CO -0.18 -0.60 0.10 -0.62 0.23 0.00 0.00 176.35 175.28 1uww s ASP 75 N -3.13 -0.10 -0.15 2.29 2.15 0.30 -1.56 116.67 116.47 1uww s ASP 75 Ca 0.59 0.21 -0.04 0.00 0.43 0.00 0.00 52.55 53.74 1uww s ASP 75 Cb -0.10 0.20 0.05 0.00 -0.30 0.00 0.00 42.92 42.77 1uww s ASP 75 CO 0.32 -0.05 0.07 0.12 -0.17 0.00 0.00 175.17 175.47 1uww s PHE 76 N 0.17 0.39 -0.20 -5.34 5.36 -1.26 -1.55 117.98 115.55 1uww s PHE 76 Ca -0.01 -0.34 -0.09 0.00 -0.96 0.00 0.00 56.93 55.52 1uww s PHE 76 Cb -0.02 -0.74 -0.05 0.00 -0.34 0.00 0.00 43.02 41.87 1uww s PHE 76 CO -0.00 -0.47 0.12 -1.58 -1.46 0.00 0.00 175.22 171.82 1uww s TRP 77 N 2.07 3.38 -0.18 10.12 0.52 -1.26 -4.26 118.94 129.33 1uww s TRP 77 Ca 0.02 0.28 -0.08 0.00 0.02 0.00 0.00 56.10 56.33 1uww s TRP 77 Cb -0.15 -2.14 0.07 0.00 -1.15 0.00 0.00 33.47 30.09 1uww s TRP 77 CO -0.08 0.26 0.41 0.21 0.02 0.00 0.00 176.95 177.77 1uww s LYS 78 N 0.36 0.35 0.37 4.98 2.20 -0.84 -4.77 119.74 122.40 1uww s LYS 78 Ca 0.07 0.88 0.07 0.00 -0.36 0.00 0.00 55.97 56.62 1uww s LYS 78 Cb -0.11 0.10 0.71 0.00 -1.51 0.00 0.00 37.83 37.02 1uww s LYS 78 CO -0.02 -0.20 1.92 0.66 -0.36 0.00 0.00 175.35 177.35 1uww h SER 79 N 7.56 0.38 -0.65 1.43 4.64 -1.98 -2.58 113.55 122.34 1uww h SER 79 Ca -0.28 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 60.82 1uww h SER 79 Cb 1.15 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 63.05 1uww h SER 79 CO 0.22 0.46 0.18 -0.90 -0.87 0.00 0.00 176.83 175.93 1uww n ASP 80 N -4.31 4.86 -4.65 4.97 5.75 -1.26 -4.77 116.55 117.15 1uww n ASP 80 Ca 0.01 -3.18 -0.43 0.00 -0.01 0.00 0.00 54.79 51.18 1uww n ASP 80 Cb 0.23 -0.72 -0.02 0.00 -1.03 0.00 0.00 41.12 39.58 1uww n ASP 80 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1uww s LEU 81 N -2.95 4.12 0.04 -2.12 2.96 -0.97 -4.98 118.68 114.76 1uww s LEU 81 Ca 0.54 1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 56.17 1uww s LEU 81 Cb 0.43 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 1uww s LEU 81 CO 0.13 -0.95 -0.01 0.68 -1.32 0.00 0.00 176.35 174.89 1uww s VAL 82 N 4.09 0.17 0.17 1.68 -7.23 -1.26 -1.04 120.40 116.98 1uww s VAL 82 Ca 0.63 -1.44 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1uww s VAL 82 Cb -0.24 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.63 1uww s VAL 82 CO 0.22 -0.79 1.56 -0.09 -0.31 0.00 0.00 175.10 175.69 1uww h ARG 83 N 3.64 0.94 0.00 4.82 2.43 -1.78 -3.49 114.38 120.94 1uww h ARG 83 Ca -0.33 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.43 1uww h ARG 83 Cb 1.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1uww h ARG 83 CO 0.56 1.07 0.00 0.41 -1.51 0.00 0.00 179.97 180.50 1uww n GLY 84 N -0.11 2.28 1.27 2.80 0.00 -0.44 -2.04 105.19 108.94 1uww n GLY 84 Ca -0.00 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.60 1uww n GLY 84 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1uww n GLU 85 N 9.18 3.16 -2.87 1.61 0.28 -1.26 -4.75 120.64 125.99 1uww n GLU 85 Ca 0.00 -1.81 -0.35 0.00 -0.16 0.00 0.00 57.16 54.83 1uww n GLU 85 Cb 0.00 -1.89 -0.07 0.00 1.43 0.00 0.00 31.44 30.91 1uww n GLU 85 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1uww s ASN 86 N -0.50 7.13 -0.02 -1.84 0.01 -0.87 -4.67 114.94 114.18 1uww s ASN 86 Ca 0.32 1.68 0.12 0.00 -0.71 0.00 0.00 52.86 54.26 1uww s ASN 86 Cb 0.23 -2.53 -0.18 0.00 0.41 0.00 0.00 41.25 39.19 1uww s ASN 86 CO 0.10 -0.15 0.25 0.47 -1.51 0.00 0.00 177.10 176.27 1uww n ASP 87 N 0.17 2.37 -4.02 -1.22 9.92 0.61 -4.43 116.55 119.96 1uww n ASP 87 Ca 0.03 -0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.20 1uww n ASP 87 Cb 0.52 1.53 -0.11 0.00 -0.64 0.00 0.00 41.12 42.41 1uww n ASP 87 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1uww s TYR 88 N -2.80 0.36 -0.15 1.24 2.02 -0.58 -0.70 117.35 116.74 1uww s TYR 88 Ca -0.04 -0.69 -0.05 0.00 -0.37 0.00 0.00 57.07 55.92 1uww s TYR 88 Cb 0.07 -0.26 -0.03 0.00 -0.40 0.00 0.00 41.96 41.34 1uww s TYR 88 CO 0.48 -0.24 0.01 0.08 -1.57 0.00 0.00 175.55 174.31 1uww s VAL 89 N -2.20 4.37 0.10 0.71 1.01 -0.37 -1.13 120.40 122.88 1uww s VAL 89 Ca -0.09 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1uww s VAL 89 Cb -0.05 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1uww s VAL 89 CO -0.04 0.50 -0.17 0.42 0.00 0.00 0.00 175.10 175.82 1uww s THR 90 N 0.11 1.41 0.07 3.92 -4.23 -0.00 -1.08 115.64 115.84 1uww s THR 90 Ca 0.02 -1.53 -0.21 0.00 -1.18 0.00 0.00 61.69 58.79 1uww s THR 90 Cb -0.13 -1.40 0.05 0.00 1.34 0.00 0.00 72.50 72.36 1uww s THR 90 CO 0.02 -0.23 0.50 0.72 -0.54 0.00 0.00 174.62 175.09 1uww s PHE 91 N -1.52 -0.39 -0.00 3.99 -0.71 -0.67 -1.33 117.98 117.35 1uww s PHE 91 Ca 0.05 0.34 -0.26 0.00 -1.04 0.00 0.00 56.93 56.02 1uww s PHE 91 Cb -0.08 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1uww s PHE 91 CO 0.03 -0.67 0.81 -0.51 -1.34 0.00 0.00 175.22 173.55 1uww s ASP 92 N -2.19 7.19 -0.08 1.98 1.01 -0.16 -1.15 116.67 123.28 1uww s ASP 92 Ca -0.03 1.44 0.02 0.00 0.71 0.00 0.00 52.55 54.69 1uww s ASP 92 Cb -0.00 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.46 1uww s ASP 92 CO -0.05 -0.11 -0.14 0.12 0.21 0.00 0.00 175.17 175.21 1uww s PHE 93 N 0.53 1.66 0.01 4.23 5.36 -0.50 -1.27 117.98 128.01 1uww s PHE 93 Ca 0.42 -0.67 0.07 0.00 -0.96 0.00 0.00 56.93 55.79 1uww s PHE 93 Cb -0.20 -1.20 -0.02 0.00 -0.34 0.00 0.00 43.02 41.26 1uww s PHE 93 CO 0.23 -0.34 -0.20 0.71 -1.46 0.00 0.00 175.22 174.16 1uww s TYR 94 N 0.75 1.80 -0.05 10.12 1.51 -0.25 -0.56 117.35 130.66 1uww s TYR 94 Ca -0.13 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1uww s TYR 94 Cb -0.16 -1.11 -0.00 0.00 -0.11 0.00 0.00 41.96 40.58 1uww s TYR 94 CO 0.03 0.03 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.81 1uww s LEU 95 N -0.83 1.93 -0.52 -1.29 1.02 -0.32 -1.22 118.68 117.44 1uww s LEU 95 Ca 0.08 -0.37 0.04 0.00 0.02 0.00 0.00 54.13 53.89 1uww s LEU 95 Cb -0.08 -1.02 0.13 0.00 0.02 0.00 0.00 46.19 45.24 1uww s LEU 95 CO 0.01 0.16 0.27 -0.62 0.02 0.00 0.00 176.35 176.19 1uww s ASP 96 N 0.03 4.30 0.45 2.29 -1.08 0.45 -1.11 116.67 122.00 1uww s ASP 96 Ca -0.04 -3.04 -0.22 0.00 -0.52 0.00 0.00 52.55 48.73 1uww s ASP 96 Cb -0.12 -1.60 -0.08 0.00 -1.46 0.00 0.00 42.92 39.66 1uww s ASP 96 CO 0.02 -0.22 1.09 -2.16 0.52 0.00 0.00 175.17 174.41 1uww s PRO 97 N -0.32 3.88 -0.07 4.34 0.04 -1.26 -1.78 135.00 139.82 1uww s PRO 97 Ca 0.17 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 1uww s PRO 97 Cb -0.25 -2.33 -0.28 0.00 0.04 0.00 0.00 34.50 31.68 1uww s PRO 97 CO -0.01 -0.40 0.55 0.28 0.04 0.00 0.00 177.00 177.46 1uww h VAL 98 N 1.84 0.80 -3.49 -0.36 2.07 -1.00 -3.47 116.25 112.64 1uww h VAL 98 Ca -0.49 -2.48 -0.36 0.00 0.82 0.00 0.00 66.70 64.19 1uww h VAL 98 Cb 1.23 2.61 -0.34 0.00 -1.52 0.00 0.00 31.29 33.27 1uww h VAL 98 CO 0.60 0.84 -0.75 -0.60 0.02 0.00 0.00 177.57 177.68 1uww s ARG 99 N -2.58 0.43 -0.34 1.57 6.06 -0.89 -5.01 118.95 118.19 1uww s ARG 99 Ca -0.17 0.03 0.02 0.00 -2.50 0.00 0.00 55.73 53.11 1uww s ARG 99 Cb 0.06 -0.57 0.19 0.00 0.06 0.00 0.00 34.95 34.69 1uww s ARG 99 CO 0.81 -0.12 0.73 0.00 -2.50 0.00 0.00 175.30 174.22 1uww s ALA 100 N 1.00 -2.91 0.00 6.12 0.00 -1.26 -1.38 121.76 123.34 1uww s ALA 100 Ca -0.10 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1uww s ALA 100 Cb -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1uww s ALA 100 CO -0.01 -2.09 0.07 0.25 0.00 0.00 0.00 175.76 173.98 1uww n THR 101 N 4.81 0.00 -3.68 0.00 -2.24 -1.26 -4.96 114.28 106.95 1uww n THR 101 Ca 0.08 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1uww n THR 101 Cb 0.57 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.99 1uww n THR 101 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1uww s GLU 102 N -0.23 1.18 2.42 -0.78 -1.05 -1.26 -4.68 118.70 114.29 1uww s GLU 102 Ca 0.00 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 1uww s GLU 102 Cb 0.00 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1uww s GLU 102 CO 0.00 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.15 1uww n GLY 103 N -0.27 -0.73 0.00 -3.83 0.00 -1.24 -3.22 105.19 95.91 1uww n GLY 103 Ca -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1uww n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uww n ALA 104 N 2.47 0.00 -3.66 4.61 0.00 -0.54 -0.52 120.51 122.88 1uww n ALA 104 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1uww n ALA 104 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1uww n ALA 104 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1uww s ASN 106 N 1.62 -0.81 -0.18 0.00 0.01 0.37 -0.79 114.94 115.16 1uww s ASN 106 Ca 0.00 1.32 -0.03 0.00 -0.71 0.00 0.00 52.86 53.44 1uww s ASN 106 Cb 0.00 1.20 -0.02 0.00 0.41 0.00 0.00 41.25 42.84 1uww s ASN 106 CO 0.00 -0.23 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.68 1uww s ILE 107 N 1.55 3.53 0.11 0.60 1.01 0.67 -0.22 121.20 128.45 1uww s ILE 107 Ca -0.10 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.16 1uww s ILE 107 Cb -0.06 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1uww s ILE 107 CO -0.18 0.46 -0.17 0.20 0.00 0.00 0.00 174.94 175.25 1uww s ASN 108 N 0.90 2.25 -0.10 3.58 -0.87 -0.55 -1.59 114.94 118.56 1uww s ASN 108 Ca -0.01 -0.73 0.04 0.00 -1.57 0.00 0.00 52.86 50.59 1uww s ASN 108 Cb -0.15 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 1uww s ASN 108 CO 0.01 -0.03 -0.24 -0.22 -2.57 0.00 0.00 177.10 174.05 1uww s LEU 109 N -2.13 2.08 -0.01 0.60 2.96 -1.26 -1.02 118.68 119.90 1uww s LEU 109 Ca 0.07 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1uww s LEU 109 Cb -0.08 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 1uww s LEU 109 CO 0.04 0.16 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.41 1uww s VAL 110 N 0.35 1.02 0.28 1.68 1.01 -1.26 -1.32 120.40 122.15 1uww s VAL 110 Ca -0.19 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.35 1uww s VAL 110 Cb -0.18 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1uww s VAL 110 CO 0.09 0.29 -0.03 -0.36 0.00 0.00 0.00 175.10 175.09 1uww s PHE 111 N -0.21 2.60 -0.53 5.22 0.08 -0.08 -4.75 117.98 120.30 1uww s PHE 111 Ca 0.03 -0.28 0.07 0.00 0.12 0.00 0.00 56.93 56.87 1uww s PHE 111 Cb -0.06 -1.22 0.33 0.00 -0.57 0.00 0.00 43.02 41.50 1uww s PHE 111 CO -0.00 0.61 0.86 1.04 -0.10 0.00 0.00 175.22 177.62 1uww n GLN 112 N -0.86 2.53 -1.86 0.44 6.02 -0.99 -1.12 117.38 121.53 1uww n GLN 112 Ca -0.06 -4.43 -0.42 0.00 -0.01 0.00 0.00 57.00 52.09 1uww n GLN 112 Cb 0.60 -2.07 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1uww n GLN 112 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1uww s PRO 113 N -3.04 4.18 0.48 -1.09 0.04 -1.15 -4.52 135.00 129.89 1uww s PRO 113 Ca 0.45 2.42 0.18 0.00 0.04 0.00 0.00 61.00 64.09 1uww s PRO 113 Cb 0.28 -3.54 1.20 0.00 0.04 0.00 0.00 34.50 32.48 1uww s PRO 113 CO -0.11 -0.75 2.02 -1.35 0.04 0.00 0.00 177.00 176.84 1uww h PRO 114 N 8.21 0.19 0.00 0.56 0.11 -1.87 -0.51 132.00 138.70 1uww h PRO 114 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1uww h PRO 114 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uww h PRO 114 CO 0.93 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 179.10 1uww n THR 115 N -4.45 0.78 -2.04 -1.15 -2.24 -1.26 -3.26 114.28 100.66 1uww n THR 115 Ca 0.07 0.17 -0.25 0.00 -2.27 0.00 0.00 64.05 61.77 1uww n THR 115 Cb 0.39 -0.94 0.02 0.00 -2.10 0.00 0.00 70.33 67.71 1uww n THR 115 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1uww n ASN 116 N -1.74 5.11 -1.65 3.42 4.13 -0.30 -4.94 115.26 119.29 1uww n ASN 116 Ca 0.04 -3.75 -0.19 0.00 1.68 0.00 0.00 54.58 52.36 1uww n ASN 116 Cb 0.23 -0.41 -0.06 0.00 -1.54 0.00 0.00 39.78 38.00 1uww n ASN 116 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uww n GLY 117 N -0.69 1.15 2.36 7.41 0.00 -1.20 -2.25 105.19 111.96 1uww n GLY 117 Ca 0.45 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 1uww n GLY 117 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uww n TYR 118 N -2.93 -0.64 -3.47 1.61 4.01 -0.61 -4.99 117.16 110.15 1uww n TYR 118 Ca -0.20 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.55 1uww n TYR 118 Cb 0.63 -3.31 -0.03 0.00 -0.31 0.00 0.00 39.34 36.32 1uww n TYR 118 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1uww s TRP 119 N -2.80 -1.34 0.02 -0.72 -0.11 -0.96 -4.45 118.94 108.58 1uww s TRP 119 Ca 0.00 2.00 0.01 0.00 1.22 0.00 0.00 56.10 59.33 1uww s TRP 119 Cb 0.00 0.68 -0.01 0.00 -1.50 0.00 0.00 33.47 32.64 1uww s TRP 119 CO 0.00 -0.69 -0.05 0.14 -4.62 0.00 0.00 176.95 171.73 1uww s VAL 120 N 2.85 0.33 -0.03 5.86 -7.23 -0.28 -4.92 120.40 116.99 1uww s VAL 120 Ca 0.02 -0.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.62 1uww s VAL 120 Cb -0.12 -0.37 -0.01 0.00 0.56 0.00 0.00 36.38 36.44 1uww s VAL 120 CO -0.19 -0.20 -0.19 -1.58 -0.31 0.00 0.00 175.10 172.63 1uww s GLN 121 N -0.88 1.77 0.19 4.82 0.74 -1.26 -0.91 119.66 124.14 1uww s GLN 121 Ca -0.06 -0.68 -0.32 0.00 0.05 0.00 0.00 55.36 54.34 1uww s GLN 121 Cb -0.06 -1.61 -0.12 0.00 1.10 0.00 0.00 33.01 32.32 1uww s GLN 121 CO -0.00 0.34 1.72 0.00 -0.55 0.00 0.00 175.29 176.81 1uww n ALA 122 N 2.86 2.55 -0.02 1.58 0.00 -0.44 -4.88 120.51 122.17 1uww n ALA 122 Ca -0.17 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 1uww n ALA 122 Cb 0.53 -2.51 0.27 0.00 0.00 0.00 0.00 19.45 17.74 1uww n ALA 122 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1uww h PRO 123 N 6.93 0.58 -5.80 0.00 0.13 -1.89 -3.44 132.00 128.51 1uww h PRO 123 Ca -0.44 -0.13 -0.64 0.00 -0.87 0.00 0.00 66.00 63.92 1uww h PRO 123 Cb 1.21 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 1uww h PRO 123 CO 0.95 0.60 -0.38 0.15 -0.23 0.00 0.00 178.00 179.09 1uww s LYS 124 N -4.97 3.60 -0.01 0.86 1.02 -1.26 -5.08 119.74 113.90 1uww s LYS 124 Ca -0.08 0.03 -0.15 0.00 0.02 0.00 0.00 55.97 55.79 1uww s LYS 124 Cb 0.15 -3.17 -0.06 0.00 -0.52 0.00 0.00 37.83 34.23 1uww s LYS 124 CO 0.77 0.73 0.41 0.99 -0.92 0.00 0.00 175.35 177.33 1uww s THR 125 N -1.11 5.03 -0.26 2.17 2.01 -1.26 -4.83 115.64 117.40 1uww s THR 125 Ca 0.20 0.84 -0.14 0.00 0.31 0.00 0.00 61.69 62.91 1uww s THR 125 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1uww s THR 125 CO 0.09 0.57 0.32 -0.47 -0.69 0.00 0.00 174.62 174.44 1uww s TYR 126 N -0.99 3.27 -0.12 4.92 6.14 -0.62 -4.95 117.35 125.00 1uww s TYR 126 Ca 0.24 0.37 0.00 0.00 0.64 0.00 0.00 57.07 58.32 1uww s TYR 126 Cb -0.17 -2.50 -0.02 0.00 0.42 0.00 0.00 41.96 39.70 1uww s TYR 126 CO 0.13 -0.16 -0.13 0.99 0.64 0.00 0.00 175.55 177.03 1uww s THR 127 N 1.81 3.09 -0.20 4.34 2.01 -1.26 -0.24 115.64 125.19 1uww s THR 127 Ca 0.13 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1uww s THR 127 Cb -0.15 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 1uww s THR 127 CO 0.09 0.54 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.93 1uww s ILE 128 N 0.16 3.92 -0.35 1.82 1.01 -1.26 -5.03 121.20 121.48 1uww s ILE 128 Ca -0.07 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 1uww s ILE 128 Cb -0.15 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.55 1uww s ILE 128 CO 0.05 0.43 0.20 0.21 0.00 0.00 0.00 174.94 175.82 1uww s ASN 129 N 1.02 5.75 0.37 3.58 3.84 -1.26 -4.37 114.94 123.86 1uww s ASN 129 Ca 0.02 -0.70 0.28 0.00 0.21 0.00 0.00 52.86 52.67 1uww s ASN 129 Cb -0.14 -2.05 1.08 0.00 -0.55 0.00 0.00 41.25 39.59 1uww s ASN 129 CO 0.02 -0.29 1.81 -0.26 -2.79 0.00 0.00 177.10 175.59 1uww h PHE 130 N 8.43 0.00 0.00 0.43 0.04 -1.08 -1.71 116.94 123.04 1uww h PHE 130 Ca -0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1uww h PHE 130 Cb 1.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1uww h PHE 130 CO 0.61 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 178.07 1uww n ASP 131 N -2.60 0.00 -0.69 2.17 8.00 -1.25 -3.43 116.55 118.76 1uww n ASP 131 Ca 0.02 -0.19 0.06 0.00 0.71 0.00 0.00 54.79 55.39 1uww n ASP 131 Cb 0.29 -0.24 0.19 0.00 -0.02 0.00 0.00 41.12 41.34 1uww n ASP 131 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uww n GLU 132 N -1.24 1.41 0.05 -1.24 1.02 -0.64 -4.79 120.64 115.20 1uww n GLU 132 Ca 0.13 -3.15 0.02 0.00 -0.02 0.00 0.00 57.16 54.14 1uww n GLU 132 Cb 0.18 -1.44 0.37 0.00 -0.02 0.00 0.00 31.44 30.53 1uww n GLU 132 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1uww h LEU 133 N 0.98 0.39 -0.05 -4.62 3.38 -1.66 -2.65 115.31 111.08 1uww h LEU 133 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1uww h LEU 133 Cb 1.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1uww h LEU 133 CO 0.01 0.43 0.00 -1.84 0.09 0.00 0.00 178.44 177.13 1uww n GLU 134 N -4.34 0.02 0.03 1.13 0.28 -1.26 -1.72 120.64 114.78 1uww n GLU 134 Ca 0.01 0.19 0.12 0.00 -0.16 0.00 0.00 57.16 57.32 1uww n GLU 134 Cb 0.20 -1.54 0.16 0.00 1.43 0.00 0.00 31.44 31.69 1uww n GLU 134 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1uww n GLU 135 N -1.58 0.20 -2.41 3.44 4.71 -1.00 -4.98 120.64 119.02 1uww n GLU 135 Ca 0.04 0.04 -0.32 0.00 -0.01 0.00 0.00 57.16 56.91 1uww n GLU 135 Cb 0.23 -1.60 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 1uww n GLU 135 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1uww s ALA 136 N -3.12 3.01 0.19 0.62 0.00 -0.70 -5.02 121.76 116.74 1uww s ALA 136 Ca 0.07 0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 1uww s ALA 136 Cb 0.15 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 1uww s ALA 136 CO 0.74 -0.27 1.52 -0.80 0.00 0.00 0.00 175.76 176.94 1uww s ASN 137 N -2.88 6.61 -0.07 0.00 0.01 -1.26 -4.93 114.94 112.42 1uww s ASN 137 Ca 0.60 2.63 -0.27 0.00 -0.71 0.00 0.00 52.86 55.10 1uww s ASN 137 Cb -0.11 -2.60 0.06 0.00 0.41 0.00 0.00 41.25 39.01 1uww s ASN 137 CO 0.29 -0.78 0.62 0.00 -1.51 0.00 0.00 177.10 175.72 1uww s GLN 138 N 0.61 0.96 -0.21 -0.60 -2.07 -1.26 -0.94 119.66 116.15 1uww s GLN 138 Ca 0.66 0.27 -0.04 0.00 -1.82 0.00 0.00 55.36 54.43 1uww s GLN 138 Cb -0.43 0.45 0.08 0.00 -1.09 0.00 0.00 33.01 32.02 1uww s GLN 138 CO 0.35 -0.28 0.12 0.08 -1.32 0.00 0.00 175.29 174.25 1uww s VAL 139 N -1.01 -0.12 -1.29 3.63 1.01 -0.65 -4.93 120.40 117.04 1uww s VAL 139 Ca -0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1uww s VAL 139 Cb -0.01 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1uww s VAL 139 CO 0.08 -0.40 0.59 0.59 0.00 0.00 0.00 175.10 175.96 1uww n ASN 140 N 5.28 -2.27 0.00 3.32 5.03 -1.26 -1.93 115.26 123.43 1uww n ASN 140 Ca -0.06 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.39 1uww n ASN 140 Cb 0.47 -3.23 0.00 0.00 -1.02 0.00 0.00 39.78 36.00 1uww n ASN 140 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uww n GLY 141 N -1.84 0.57 3.38 7.41 0.00 -1.26 -5.01 105.19 108.43 1uww n GLY 141 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1uww n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uww s LEU 142 N 0.00 4.72 -0.02 0.99 2.96 -0.81 -4.36 118.68 122.16 1uww s LEU 142 Ca 0.00 -0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 52.76 1uww s LEU 142 Cb 0.00 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1uww s LEU 142 CO 0.00 -0.38 0.41 -0.31 -1.32 0.00 0.00 176.35 174.75 1uww s TYR 143 N 1.55 3.69 -0.09 5.38 1.51 -0.27 -1.63 117.35 127.50 1uww s TYR 143 Ca 0.02 0.97 0.04 0.00 -1.01 0.00 0.00 57.07 57.09 1uww s TYR 143 Cb -0.19 -2.33 -0.01 0.00 -0.11 0.00 0.00 41.96 39.32 1uww s TYR 143 CO 0.07 0.56 -0.23 -1.58 -1.11 0.00 0.00 175.55 173.26 1uww s HIS 144 N -0.79 2.54 -0.04 2.71 2.46 -0.12 -1.17 115.29 120.88 1uww s HIS 144 Ca 0.24 -0.87 0.04 0.00 0.47 0.00 0.00 55.06 54.93 1uww s HIS 144 Cb -0.16 -1.68 -0.00 0.00 -0.13 0.00 0.00 32.58 30.61 1uww s HIS 144 CO 0.13 -0.31 -0.15 0.71 -2.47 0.00 0.00 174.74 172.64 1uww s TYR 145 N 0.13 1.51 -0.79 3.88 1.51 0.27 -4.21 117.35 119.65 1uww s TYR 145 Ca -0.12 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.33 1uww s TYR 145 Cb -0.16 -1.03 0.14 0.00 -0.11 0.00 0.00 41.96 40.80 1uww s TYR 145 CO 0.07 -0.15 0.92 -1.21 -1.11 0.00 0.00 175.55 174.06 1uww s GLU 146 N 0.09 3.41 0.01 -0.62 2.02 -1.26 -1.41 118.70 120.94 1uww s GLU 146 Ca -0.04 -1.73 -0.30 0.00 0.02 0.00 0.00 54.97 52.92 1uww s GLU 146 Cb -0.11 -4.57 -0.04 0.00 0.10 0.00 0.00 34.13 29.51 1uww s GLU 146 CO 0.02 -1.60 1.09 0.08 0.02 0.00 0.00 175.26 174.86 1uww s VAL 147 N 2.22 4.48 -0.05 2.63 1.01 -0.30 -4.94 120.40 125.45 1uww s VAL 147 Ca 0.23 1.78 -0.02 0.00 0.00 0.00 0.00 61.98 63.96 1uww s VAL 147 Cb -0.12 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1uww s VAL 147 CO -0.03 0.12 0.06 -0.75 0.00 0.00 0.00 175.10 174.49 1uww s LYS 148 N 1.19 -0.01 -0.10 2.72 2.20 -1.26 -1.67 119.74 122.80 1uww s LYS 148 Ca 0.55 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 56.49 1uww s LYS 148 Cb -0.25 -0.67 0.01 0.00 -1.51 0.00 0.00 37.83 35.42 1uww s LYS 148 CO 0.27 -0.36 -0.15 0.42 -0.36 0.00 0.00 175.35 175.18 1uww s ILE 149 N 2.15 1.46 -0.19 5.43 1.01 -0.24 -4.92 121.20 125.90 1uww s ILE 149 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 1uww s ILE 149 Cb -0.12 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 1uww s ILE 149 CO -0.04 0.43 1.18 0.21 0.00 0.00 0.00 174.94 176.72 1uww s ASN 150 N 0.97 7.01 -0.01 3.58 3.84 -1.26 -1.24 114.94 127.83 1uww s ASN 150 Ca -0.07 1.58 0.16 0.00 0.21 0.00 0.00 52.86 54.74 1uww s ASN 150 Cb -0.15 -2.54 -0.21 0.00 -0.55 0.00 0.00 41.25 37.80 1uww s ASN 150 CO -0.01 -0.72 0.55 1.33 -2.79 0.00 0.00 177.10 175.46 1uww n VAL 151 N 5.33 0.00 0.27 -5.21 0.24 0.12 -4.34 118.33 114.74 1uww n VAL 151 Ca 0.13 -0.23 0.10 0.00 -2.04 0.00 0.00 64.34 62.30 1uww n VAL 151 Cb 0.45 0.64 0.73 0.00 -1.47 0.00 0.00 33.84 34.19 1uww n VAL 151 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1uww h ARG 152 N 0.00 0.00 0.00 7.34 9.65 -1.64 -2.54 114.38 127.20 1uww h ARG 152 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1uww h ARG 152 Cb 0.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1uww h ARG 152 CO 0.00 0.00 0.00 -0.25 2.80 0.00 0.00 179.97 182.52 1uww n ASP 153 N -4.31 0.00 -4.58 -3.80 8.00 -1.26 -4.63 116.55 105.96 1uww n ASP 153 Ca -0.03 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 1uww n ASP 153 Cb 0.09 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 1uww n ASP 153 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1uww s ILE 154 N -2.71 3.81 -0.46 0.53 1.01 -0.96 -4.86 121.20 117.57 1uww s ILE 154 Ca 0.20 0.75 0.23 0.00 0.00 0.00 0.00 60.65 61.84 1uww s ILE 154 Cb 0.17 -4.32 0.26 0.00 0.01 0.00 0.00 42.46 38.58 1uww s ILE 154 CO 0.42 -0.99 1.52 0.71 0.00 0.00 0.00 174.94 176.60 1uww h THR 155 N 6.44 0.00 0.00 2.92 1.35 -1.89 -3.34 112.91 118.39 1uww h THR 155 Ca -0.27 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1uww h THR 155 Cb 1.10 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1uww h THR 155 CO 1.14 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 177.00 1uww n ASN 156 N -2.86 0.00 -4.66 5.36 3.02 -1.26 -4.78 115.26 110.08 1uww n ASN 156 Ca 0.03 0.41 -0.23 0.00 -0.03 0.00 0.00 54.58 54.76 1uww n ASN 156 Cb 0.51 -0.47 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 1uww n ASN 156 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1uww s ILE 157 N -2.94 3.57 0.45 2.41 -4.36 -1.26 -4.99 121.20 114.09 1uww s ILE 157 Ca 0.16 -1.79 0.08 0.00 -0.26 0.00 0.00 60.65 58.84 1uww s ILE 157 Cb 0.19 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 41.01 1uww s ILE 157 CO 0.51 -0.33 0.46 -1.10 0.24 0.00 0.00 174.94 174.72 1uww s GLN 158 N -3.56 2.54 0.53 0.37 -1.52 -1.26 -5.01 119.66 111.75 1uww s GLN 158 Ca 0.31 -1.54 0.31 0.00 -1.95 0.00 0.00 55.36 52.49 1uww s GLN 158 Cb -0.07 -2.46 1.38 0.00 -0.22 0.00 0.00 33.01 31.65 1uww s GLN 158 CO 0.20 -0.32 2.00 -0.44 -0.25 0.00 0.00 175.29 176.48 1uww h ASP 159 N 0.83 0.00 -0.18 5.90 3.32 -1.98 -2.24 116.42 122.07 1uww h ASP 159 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1uww h ASP 159 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1uww h ASP 159 CO 0.53 0.08 0.00 -0.90 -1.72 0.00 0.00 179.24 177.23 1uww n ASP 160 N -3.27 3.16 -4.72 6.45 5.75 -1.26 -1.32 116.55 121.34 1uww n ASP 160 Ca -0.00 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.37 1uww n ASP 160 Cb 0.30 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1uww n ASP 160 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1uww s THR 161 N -1.79 2.83 -0.20 2.12 2.01 -0.85 -4.93 115.64 114.83 1uww s THR 161 Ca 0.33 0.59 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 1uww s THR 161 Cb 0.21 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 1uww s THR 161 CO 0.31 0.04 1.51 -0.76 -0.69 0.00 0.00 174.62 175.04 1uww s LEU 162 N 1.18 4.00 0.20 4.42 1.43 -1.26 -4.46 118.68 124.18 1uww s LEU 162 Ca 0.69 1.65 0.21 0.00 -1.03 0.00 0.00 54.13 55.64 1uww s LEU 162 Cb -0.42 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.27 1uww s LEU 162 CO 0.31 -1.10 1.06 -0.07 0.23 0.00 0.00 176.35 176.77 1uww h LEU 163 N 11.04 0.00 0.00 1.79 3.38 -1.43 -3.38 115.31 126.71 1uww h LEU 163 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1uww h LEU 163 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1uww h LEU 163 CO 1.00 0.12 0.00 -1.14 0.09 0.00 0.00 178.44 178.51 1uww n ARG 164 N -2.77 0.00 -0.95 1.13 0.63 -1.26 -2.52 116.66 110.93 1uww n ARG 164 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1uww n ARG 164 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1uww n ARG 164 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1uww n ASN 165 N 2.71 0.00 -3.66 6.15 6.94 -1.26 -1.98 115.26 124.17 1uww n ASN 165 Ca 0.00 -0.81 -0.07 0.00 -0.02 0.00 0.00 54.58 53.68 1uww n ASN 165 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1uww n ASN 165 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1uww s ILE 168 N -2.79 -0.59 -0.16 1.53 1.01 -0.60 -2.36 121.20 117.24 1uww s ILE 168 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 1uww s ILE 168 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1uww s ILE 168 CO 0.00 0.04 -0.02 -0.63 0.00 0.00 0.00 174.94 174.33 1uww s ILE 169 N 2.42 4.01 -0.55 2.92 1.09 -0.18 -1.04 121.20 129.88 1uww s ILE 169 Ca -0.04 -0.31 -0.01 0.00 -1.10 0.00 0.00 60.65 59.18 1uww s ILE 169 Cb -0.11 -2.77 0.14 0.00 -1.06 0.00 0.00 42.46 38.66 1uww s ILE 169 CO -0.15 0.48 0.34 -0.36 -0.10 0.00 0.00 174.94 175.16 1uww s PHE 170 N 0.43 3.43 -0.11 3.97 0.40 -0.37 -1.48 117.98 124.25 1uww s PHE 170 Ca -0.03 -2.74 -0.05 0.00 -0.60 0.00 0.00 56.93 53.51 1uww s PHE 170 Cb -0.14 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.22 1uww s PHE 170 CO 0.02 -0.86 0.09 0.00 0.70 0.00 0.00 175.22 175.18 1uww s ALA 171 N 0.20 3.66 0.28 5.36 0.00 0.70 -3.60 121.76 128.35 1uww s ALA 171 Ca 0.15 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1uww s ALA 171 Cb -0.22 -1.80 -0.10 0.00 0.00 0.00 0.00 23.12 21.00 1uww s ALA 171 CO -0.03 0.59 1.37 0.34 0.00 0.00 0.00 175.76 178.03 1uww s ASP 172 N -0.92 6.73 -0.63 0.00 2.15 -1.26 -0.48 116.67 122.26 1uww s ASP 172 Ca 0.14 2.64 0.05 0.00 0.43 0.00 0.00 52.55 55.81 1uww s ASP 172 Cb -0.12 -2.63 0.16 0.00 -0.30 0.00 0.00 42.92 40.03 1uww s ASP 172 CO 0.03 -0.61 0.44 -0.69 -0.17 0.00 0.00 175.17 174.17 1uww s VAL 173 N -0.47 2.39 -1.55 1.11 1.01 0.03 -4.84 120.40 118.07 1uww s VAL 173 Ca 0.55 -3.87 -0.14 0.00 0.00 0.00 0.00 61.98 58.52 1uww s VAL 173 Cb -0.40 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 33.49 1uww s VAL 173 CO 0.47 -1.02 0.93 -0.62 0.00 0.00 0.00 175.10 174.85 1uww n GLU 174 N 2.27 -5.06 -3.24 2.72 1.02 -1.26 -1.47 120.64 115.62 1uww n GLU 174 Ca 0.20 0.56 -0.19 0.00 -0.02 0.00 0.00 57.16 57.71 1uww n GLU 174 Cb 0.37 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.40 1uww n GLU 174 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1uww s SER 175 N -3.37 5.82 -0.21 1.62 1.04 -1.26 -3.68 113.70 113.66 1uww s SER 175 Ca 0.64 -0.21 0.15 0.00 0.48 0.00 0.00 55.95 57.00 1uww s SER 175 Cb -0.32 -1.06 0.52 0.00 0.10 0.00 0.00 66.02 65.26 1uww s SER 175 CO 0.85 -0.60 1.44 -0.90 0.98 0.00 0.00 173.24 175.01 1uww n ASP 176 N -1.78 3.51 -4.73 7.02 5.75 -1.20 -4.91 116.55 120.20 1uww n ASP 176 Ca 0.03 -3.21 -0.42 0.00 -0.01 0.00 0.00 54.79 51.18 1uww n ASP 176 Cb 0.58 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1uww n ASP 176 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1uww s PHE 177 N -2.94 2.91 -0.13 2.11 5.36 -1.26 -4.47 117.98 119.56 1uww s PHE 177 Ca 0.43 0.64 -0.10 0.00 -0.96 0.00 0.00 56.93 56.94 1uww s PHE 177 Cb 0.36 -4.03 0.04 0.00 -0.34 0.00 0.00 43.02 39.05 1uww s PHE 177 CO 0.07 -3.66 0.33 0.00 -1.46 0.00 0.00 175.22 170.50 1uww s ALA 178 N 0.64 -0.82 0.00 11.12 0.00 -0.48 -1.60 121.76 130.62 1uww s ALA 178 Ca 0.68 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1uww s ALA 178 Cb -0.47 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1uww s ALA 178 CO 0.38 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1uww n GLY 179 N 3.47 -0.70 3.74 0.00 0.00 -0.48 -0.27 105.19 110.96 1uww n GLY 179 Ca -0.18 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1uww n GLY 179 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uww s ARG 180 N -2.00 3.03 0.24 1.61 3.52 -0.73 -1.76 118.95 122.86 1uww s ARG 180 Ca 0.00 -0.44 0.06 0.00 -0.13 0.00 0.00 55.73 55.22 1uww s ARG 180 Cb 0.00 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 1uww s ARG 180 CO 0.00 0.68 -0.08 0.14 -0.81 0.00 0.00 175.30 175.23 1uww s VAL 181 N -1.05 1.52 -0.06 7.11 -7.23 -0.47 -0.41 120.40 119.81 1uww s VAL 181 Ca 0.18 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.18 1uww s VAL 181 Cb -0.12 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.59 1uww s VAL 181 CO 0.08 -0.43 0.15 -0.36 -0.31 0.00 0.00 175.10 174.23 1uww s PHE 182 N -3.10 -0.17 -0.08 2.82 0.40 -0.36 -2.49 117.98 115.00 1uww s PHE 182 Ca 0.26 0.44 0.03 0.00 -0.60 0.00 0.00 56.93 57.07 1uww s PHE 182 Cb 0.03 0.02 0.01 0.00 0.51 0.00 0.00 43.02 43.58 1uww s PHE 182 CO 0.09 -0.11 -0.18 0.08 0.70 0.00 0.00 175.22 175.79 1uww s VAL 183 N 0.43 1.62 0.06 -0.44 1.01 0.71 -1.09 120.40 122.70 1uww s VAL 183 Ca -0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1uww s VAL 183 Cb -0.04 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1uww s VAL 183 CO -0.02 0.46 0.10 -0.62 0.00 0.00 0.00 175.10 175.02 1uww s ASP 184 N 0.47 0.24 -1.24 3.32 2.15 -0.39 -1.28 116.67 119.93 1uww s ASP 184 Ca -0.16 -0.71 -0.00 0.00 0.43 0.00 0.00 52.55 52.10 1uww s ASP 184 Cb -0.17 0.27 -0.00 0.00 -0.30 0.00 0.00 42.92 42.72 1uww s ASP 184 CO 0.06 -0.62 0.85 0.59 -0.17 0.00 0.00 175.17 175.88 1uww n ASN 185 N 0.24 -1.78 -4.68 -0.34 3.02 -0.60 -0.99 115.26 110.14 1uww n ASN 185 Ca -0.16 -0.72 -0.42 0.00 -0.03 0.00 0.00 54.58 53.25 1uww n ASN 185 Cb 0.61 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 35.14 1uww n ASN 185 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uww s VAL 186 N -3.51 4.32 0.11 2.41 1.01 -0.75 -4.23 120.40 119.77 1uww s VAL 186 Ca 0.02 1.64 -0.20 0.00 0.00 0.00 0.00 61.98 63.43 1uww s VAL 186 Cb -0.00 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.38 1uww s VAL 186 CO 0.77 -0.02 0.50 0.00 0.00 0.00 0.00 175.10 176.35 1uww s ARG 187 N 2.32 1.12 0.25 2.72 1.70 -0.44 -0.65 118.95 125.96 1uww s ARG 187 Ca 0.55 -0.48 -0.18 0.00 -0.47 0.00 0.00 55.73 55.14 1uww s ARG 187 Cb -0.24 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 34.57 1uww s ARG 187 CO 0.21 -0.44 0.72 -0.06 -1.08 0.00 0.00 175.30 174.64 1uww s PHE 188 N -3.33 3.56 0.04 5.89 0.40 -1.26 -0.82 117.98 122.45 1uww s PHE 188 Ca -0.00 1.32 0.02 0.00 -0.60 0.00 0.00 56.93 57.66 1uww s PHE 188 Cb 0.00 -2.58 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 1uww s PHE 188 CO -0.09 0.26 -0.06 -1.21 0.70 0.00 0.00 175.22 174.82 1uww s GLU 189 N -2.30 0.50 0.00 0.44 2.02 -0.29 -4.94 118.70 114.13 1uww s GLU 189 Ca 0.46 -0.78 0.29 0.00 0.02 0.00 0.00 54.97 54.96 1uww s GLU 189 Cb -0.15 -0.18 1.71 0.00 0.10 0.00 0.00 34.13 35.61 1uww s GLU 189 CO 0.20 0.02 2.05 0.41 0.02 0.00 0.00 175.26 177.95